Tioconazole

Summary

Tioconazole (CHEMBL1200438) is an approved small molecule (ATC G01AF08) targeting CYP8B1.

At a glance

• Status: Approved (max clinical phase 4)
• Modality: Small molecule
• ATC class: G01AF08 (+1 more)
• Targets: 1 (CYP8B1)
• Clinical trials: 1
• Chemistry: 387.7 Da · C16H13Cl3N2OS

Identifiers

Drug identity and classification

Field	Value
ChEMBL ID	CHEMBL1200438
Name	Tioconazole
Type	Small molecule
Max phase	4
FDA approved	yes
PubChem CID	5482
ChEBI	CHEBI:77898
ATC	G01AF08, D01AC07
Molecular formula	C16H13Cl3N2OS
Molecular weight	387.7
InChIKey	QXHHHPZILQDDPS-UHFFFAOYSA-N

SMILES: C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)Cl

IUPAC name: 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

ChEBI definition: A member of the class of imidazoles that comprises 2-(2,4-dichlorophenyl)ethylimidazole carrying an additional (2-chloro-3-thienyl)methoxy substituent at position 2.

Also known as: NSC-759169, Tioconazol, Tioconazole, Trosyl, Tz-3, UK-20,349, UK-20349, Vagistat, Vagistat-1, SID50112684, TIOCONAZOLE, SID144205987

Patent coverage: 3,892 distinct patent families (15,162 SureChEMBL compound mentions), from 2 matched compound structure(s). One matched structure accounts for 15,110 (100%) of the total. Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.

Targets

Targets

Primary targets (GtoPdb curated mechanism): the Cancer dependency column is the DepMap CRISPR fitness signal (% of screened cell lines dependent on the target).

Gene	Target	Action	pAffinity	Cancer dependency	UniProt
CYP8B1	CYP8B1	Inhibition	5.4	0%	Q9UNU6

Broader ChEMBL bioactivity targets: 29 (assay-derived). Sample: Nuclear receptor ROR-gamma, Cysteine protease ATG4B, Alpha-2C adrenergic receptor, Glucocorticoid receptor, Thromboxane A2 receptor, Progesterone receptor, Beta-2 adrenergic receptor, Beta-1 adrenergic receptor, D(2) dopamine receptor, Sodium-dependent noradrenaline transporter.

Bioactivity

ChEMBL activities: 17 potent at pChembl ≥ 5 of 35 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):

Target	pChembl	Type	Value	Unit	Activity ID
CYP17A1	6.3	Ki	505	nM	CHEMBL_ACT_1037850
SLC6A4	6.01	AC50	968	nM	CHEMBL_ACT_25150218
ATG4A	5.89	IC50	1300	nM	CHEMBL_ACT_24958662
ATG4B	5.89	IC50	1300	nM	CHEMBL_ACT_25872961
KCNH2	5.82	AC50	1500	nM	CHEMBL_ACT_25117699
P15207	5.82	AC50	1500	nM	CHEMBL_ACT_25187387
ATG4B	5.75	IC50	1800	nM	CHEMBL_ACT_24958663
OPRK1	5.75	AC50	1800	nM	CHEMBL_ACT_25129320
ATG4B	5.75	IC50	1800	nM	CHEMBL_ACT_25872963
NR1I2	5.6	AC50	2499	nM	CHEMBL_ACT_25188096
OPRD1	5.5	AC50	3200	nM	CHEMBL_ACT_25153950
ADRA1A	5.5	AC50	3200	nM	CHEMBL_ACT_25217979
P15207	5.3	AC50	5000	nM	CHEMBL_ACT_25232282
ADORA3	5.19	AC50	6427	nM	CHEMBL_ACT_25134091
ADRA2C	5.19	AC50	6500	nM	CHEMBL_ACT_25147755
GHSR	5.07	AC50	8500	nM	CHEMBL_ACT_25172638
PDE4D	5.06	AC50	8700	nM	CHEMBL_ACT_25185204

Target pathways

Aggregated over 1 target gene(s): CYP8B1.

Top Reactome pathways

6 total, by targets touching each:

Pathway	Targets	Genes
Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol	1	CYP8B1
Synthesis of bile acids and bile salts via 24-hydroxycholesterol	1	CYP8B1
Synthesis of bile acids and bile salts via 27-hydroxycholesterol	1	CYP8B1
Eicosanoids	1	CYP8B1
Sterols are 12-hydroxylated by CYP8B1	1	CYP8B1
Synthesis of Prostaglandins (PG) and Thromboxanes (TX)	1	CYP8B1

Dominant GO biological processes

GO term	Targets
steroid biosynthetic process	1
bile acid biosynthetic process	1
sterol metabolic process	1
response to nutrient levels	1
positive regulation of intestinal cholesterol absorption	1
response to cholesterol	1
lipid metabolic process	1

Indications & clinical

Indications

0 indications (0 at ChEMBL trial phase 4).

Clinical trials

Total trials: 1.

Phase distribution

Phase	Trials
PHASE4	1

Top trials by phase / activity

NCT	Phase	Status	Title
NCT05999474	PHASE4	UNKNOWN	Combined Fractional CO2 Laser With Topical Tioconazole Versus Q-switched Nd:YAG Laser in the Treatment of Onychomycosis; a Randomized Controlled Trial

Clinical evidence (CIViC)

No CIViC predictive evidence (expected for non-precision-medicine drugs).

Pharmacology

Pharmacogenomics

No CPIC/DPWG dosing guideline or drug-level clinical/variant annotations in PharmGKB for this molecule.

Related molecules

Related molecules

Molecules sharing ≥1 of this drug’s curated primary targets, merged from two biobtree sources and ranked by shared-target count, then clinical phase: ChEMBL clinical-stage candidates (development phase ≥2) and PubChem drug-class bioactivity (approved / known drugs acting on the target). Deduplicated by drug name; the drug’s own salt forms are excluded. Note: for a drug with few primary targets a shared-target match can reflect off-target / promiscuous binding rather than the same therapeutic mechanism — the phase ordering surfaces bona-fide therapeutics first.

7 molecules share ≥1 primary target. Top 7 by shared-target count:

Molecule	Source	Status	Shared targets
CLOTRIMAZOLE	ChEMBL	Phase 4 (approved)	CYP8B1
ECONAZOLE	ChEMBL	Phase 4 (approved)	CYP8B1
ITRACONAZOLE	ChEMBL	Phase 4 (approved)	CYP8B1
KETOCONAZOLE	ChEMBL	Phase 4 (approved)	CYP8B1
MICONAZOLE	ChEMBL	Phase 4 (approved)	CYP8B1
POSACONAZOLE	ChEMBL	Phase 4 (approved)	CYP8B1
TRANYLCYPROMINE	ChEMBL	Phase 4 (approved)	CYP8B1